==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-05 2AIH . COMPND 2 MOLECULE: BOWMAN-BIRK TYPE PROTEASE INHIBITOR, LCTI; . SOURCE 2 ORGANISM_SCIENTIFIC: LENS CULINARIS; . AUTHOR E.M.RAGG,V.GALBUSERA,A.SCARAFONI,A.NEGRI,G.TEDESCHI, . 67 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.3 5.6 -16.5 8.3 2 2 A D + 0 0 133 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.321 360.0 82.1-158.3 -6.8 4.4 -15.1 5.0 3 3 A D + 0 0 164 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.157 69.0 139.8 -93.5 20.6 0.7 -16.0 4.6 4 4 A V - 0 0 71 1,-0.1 3,-0.5 2,-0.0 0, 0.0 -0.347 54.9-150.0 -79.5 140.2 -0.1 -12.9 6.7 5 5 A K + 0 0 162 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.057 63.4 120.0 -94.9 29.8 -3.0 -10.4 6.2 6 6 A S S S- 0 0 54 1,-0.3 2,-0.3 26,-0.1 28,-0.3 0.915 90.3 -12.7 -57.7 -44.5 -0.8 -7.6 7.7 7 7 A A - 0 0 15 -3,-0.5 2,-0.3 27,-0.1 -1,-0.3 -0.978 60.7-161.0-152.6 150.1 -1.2 -5.8 4.4 8 8 A a + 0 0 24 -2,-0.3 2,-0.3 -3,-0.2 52,-0.2 -0.944 15.2 179.0-123.5 154.8 -2.4 -6.6 0.9 9 9 A b - 0 0 4 50,-2.7 3,-0.2 -2,-0.3 53,-0.1 -0.919 25.1-168.6-160.3 125.7 -1.4 -4.5 -2.1 10 10 A D S S+ 0 0 36 -2,-0.3 2,-0.2 1,-0.2 50,-0.1 0.541 85.6 36.1 -93.2 -4.9 -2.2 -4.8 -5.9 11 11 A T + 0 0 47 15,-0.2 15,-1.8 48,-0.1 14,-1.1 -0.685 63.3 175.9-158.9 94.7 0.3 -2.1 -7.0 12 12 A c E -A 24 0A 33 12,-0.3 2,-0.3 -2,-0.2 12,-0.2 -0.499 11.7-160.4 -81.8 162.1 3.7 -1.6 -5.4 13 13 A L E -A 23 0A 88 10,-2.1 10,-1.3 -2,-0.2 2,-0.4 -0.872 2.1-165.9-155.0 106.8 6.2 0.9 -6.8 14 14 A d E -A 22 0A 73 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.832 27.7-114.1 -93.7 136.0 9.8 0.7 -6.0 15 15 A T - 0 0 61 6,-3.0 2,-0.8 -2,-0.4 6,-0.2 -0.337 10.0-119.9 -79.1 151.9 11.9 3.7 -6.8 16 16 A R S S+ 0 0 243 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.781 76.0 97.1 -81.6 105.3 14.7 4.3 -9.2 17 17 A S S S- 0 0 81 -2,-0.8 4,-0.0 -3,-0.0 -3,-0.0 -0.948 75.6 -82.3-176.9-179.3 17.4 5.3 -6.7 18 18 A Q S S+ 0 0 170 1,-0.6 -2,-0.0 -2,-0.3 3,-0.0 -0.854 119.5 17.4-156.1 110.7 20.4 4.1 -4.7 19 19 A P S S- 0 0 90 0, 0.0 -1,-0.6 0, 0.0 -4,-0.0 0.760 108.1-126.7 -66.1 162.1 19.5 2.8 -2.1 20 20 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.167 19.5-160.2 -74.0 177.2 15.9 2.1 -3.2 21 21 A T - 0 0 58 -6,-0.2 -6,-3.0 2,-0.0 2,-0.3 -0.969 12.0-164.4-159.2 139.1 12.7 3.1 -1.4 22 22 A d E +AB 14 54A 6 32,-2.1 32,-2.6 -2,-0.3 2,-0.3 -0.913 13.6 166.1-145.6 164.2 9.3 1.5 -2.0 23 23 A R E -A 13 0A 84 -10,-1.3 -10,-2.1 -2,-0.3 2,-0.8 -0.975 40.0 -99.7-174.6 150.8 5.6 2.0 -1.3 24 24 A b E -A 12 0A 30 -2,-0.3 26,-0.5 -12,-0.2 -12,-0.3 -0.815 24.2-175.4 -92.5 104.0 2.2 0.8 -2.4 25 25 A V + 0 0 60 -14,-1.1 2,-0.9 -2,-0.8 -13,-0.2 0.767 63.8 95.1 -61.7 -28.3 0.6 3.2 -4.9 26 26 A D S S- 0 0 27 -15,-1.8 -15,-0.2 -3,-0.1 2,-0.1 -0.577 71.7-151.0 -73.6 103.3 -2.6 1.1 -4.7 27 27 A V - 0 0 37 -2,-0.9 2,-0.2 -18,-0.1 22,-0.2 -0.417 15.2-166.4 -84.1 150.7 -4.8 2.8 -2.1 28 28 A R B -C 48 0B 36 20,-1.8 20,-0.6 1,-0.1 -1,-0.1 -0.746 39.2-114.6-128.8 168.4 -7.3 1.1 0.2 29 29 A E S S+ 0 0 122 -2,-0.2 2,-0.4 18,-0.2 -1,-0.1 0.963 106.7 53.7 -52.2 -69.2 -10.2 1.3 2.5 30 30 A S - 0 0 82 -3,-0.1 2,-0.5 18,-0.0 -1,-0.1 -0.632 67.9-164.5 -75.2 127.7 -7.9 -0.1 5.3 31 31 A e - 0 0 38 -2,-0.4 2,-0.2 -4,-0.1 7,-0.1 -0.960 18.8-147.0-110.9 122.9 -4.6 1.5 6.1 32 32 A H > - 0 0 63 -2,-0.5 3,-0.8 1,-0.1 -25,-0.1 -0.488 20.3-121.6 -92.8 160.5 -2.5 -0.8 8.2 33 33 A S T 3 S+ 0 0 120 1,-0.2 -1,-0.1 -2,-0.2 -26,-0.1 0.429 95.9 91.9 -85.0 5.5 0.0 0.2 11.0 34 34 A A T 3 S+ 0 0 46 -28,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.915 87.4 51.1 -62.0 -42.8 2.8 -1.6 9.0 35 35 A f S < S- 0 0 5 -3,-0.8 3,-0.2 1,-0.1 19,-0.1 -0.761 90.0-138.0 -90.1 142.5 3.4 1.8 7.4 36 36 A D S S+ 0 0 138 -2,-0.3 2,-0.7 17,-0.3 -1,-0.1 0.868 85.3 50.3 -77.2 -35.1 3.9 4.5 10.0 37 37 A K - 0 0 130 16,-0.1 14,-1.8 2,-0.0 15,-1.0 -0.857 63.0-178.5-114.4 98.0 1.9 7.4 8.4 38 38 A e E +D 50 0B 50 -2,-0.7 2,-0.3 12,-0.2 12,-0.2 -0.848 6.4 177.5 -86.8 117.8 -1.6 6.5 7.2 39 39 A V E -D 49 0B 43 10,-2.1 10,-2.3 -2,-0.6 2,-0.4 -0.885 8.1-164.4-115.5 154.9 -3.4 9.5 5.6 40 40 A g E -D 48 0B 66 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.976 22.7-134.7-147.9 128.7 -6.9 9.2 4.1 41 41 A A E -D 47 0B 41 6,-1.8 6,-1.7 -2,-0.4 2,-0.3 -0.671 30.1-129.0 -67.1 133.1 -9.2 11.1 1.8 42 42 A Y + 0 0 228 -2,-0.4 -1,-0.1 4,-0.2 6,-0.1 0.050 64.0 134.0 -83.6 29.2 -12.6 11.1 3.4 43 43 A S - 0 0 59 -2,-0.3 -3,-0.0 4,-0.2 0, 0.0 0.332 63.8 -77.5 -60.4-169.6 -14.2 9.9 0.2 44 44 A N S S+ 0 0 160 1,-0.6 -2,-0.1 2,-0.1 -1,-0.0 -0.836 131.0 15.8-148.8 105.5 -16.7 7.1 -0.4 45 45 A P S S- 0 0 69 0, 0.0 -1,-0.6 0, 0.0 -2,-0.1 0.657 117.9-121.4 -67.5 153.8 -15.4 4.5 -0.2 46 46 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -4,-0.2 -0.168 18.0-139.3 -70.0 161.8 -12.5 6.3 1.5 47 47 A Q E - D 0 41B 77 -6,-1.7 -6,-1.8 -18,-0.0 2,-0.4 -0.957 19.9-172.5-125.0 146.5 -9.0 6.2 0.0 48 48 A g E -CD 28 40B 10 -20,-0.6 -20,-1.8 -2,-0.4 2,-0.4 -0.999 4.5-159.4-158.8 131.5 -6.0 5.9 2.2 49 49 A Q E - D 0 39B 59 -10,-2.3 -10,-2.1 -2,-0.4 2,-1.3 -0.870 25.9-128.1-118.5 140.6 -2.3 6.0 1.6 50 50 A f E + D 0 38B 34 -26,-0.5 -12,-0.2 -2,-0.4 -26,-0.1 -0.755 30.1 176.6 -81.6 89.5 0.9 4.9 3.2 51 51 A Y + 0 0 144 -14,-1.8 -1,-0.2 -2,-1.3 -13,-0.1 0.907 61.3 80.3 -51.1 -45.8 2.6 8.3 3.1 52 52 A D S S- 0 0 62 -15,-1.0 -2,-0.0 -3,-0.2 2,-0.0 -0.392 87.4-113.5 -74.2 143.5 5.4 6.6 5.0 53 53 A T - 0 0 70 -2,-0.1 -17,-0.3 -30,-0.1 2,-0.3 -0.203 30.8-176.7 -77.1 161.3 8.0 4.5 3.1 54 54 A H B -B 22 0A 66 -32,-2.6 -32,-2.1 2,-0.1 -19,-0.1 -0.889 29.5-137.3-145.7 174.5 8.7 0.8 3.2 55 55 A K S S+ 0 0 192 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.1 -0.273 77.7 70.5-130.6 46.0 11.1 -1.8 1.8 56 56 A F - 0 0 116 -34,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.957 61.0-143.2-153.7 165.4 8.6 -4.5 1.0 57 57 A c - 0 0 66 -2,-0.3 2,-0.3 -45,-0.1 -48,-0.0 -0.995 17.6-147.5-136.1 131.3 5.8 -5.4 -1.4 58 58 A Y - 0 0 45 -2,-0.4 -50,-0.1 1,-0.1 -49,-0.1 -0.768 26.2-100.0 -99.4 147.8 2.7 -7.4 -0.3 59 59 A K - 0 0 114 -2,-0.3 -50,-2.7 -52,-0.2 2,-0.4 -0.002 46.6 -85.9 -50.0 159.6 0.7 -9.8 -2.5 60 60 A A + 0 0 51 -52,-0.2 2,-0.4 -50,-0.1 -1,-0.1 -0.585 38.2 174.0 -81.1 132.5 -2.5 -9.0 -4.2 61 61 A a - 0 0 38 -2,-0.4 2,-0.5 0, 0.0 -51,-0.1 -0.969 43.3-118.4-131.6 111.2 -5.9 -9.3 -2.5 62 62 A H - 0 0 134 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.372 33.1-176.1 -74.2 110.2 -8.3 -7.8 -5.0 63 63 A N + 0 0 55 -2,-0.5 2,-0.3 4,-0.4 -1,-0.1 0.996 59.3 7.1 -63.6 -73.4 -10.1 -4.7 -3.6 64 64 A S S > S- 0 0 48 3,-0.5 2,-2.5 1,-0.0 3,-1.6 -0.792 87.7 -86.6-117.4 153.9 -12.7 -3.5 -6.1 65 65 A E T 3 S+ 0 0 201 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 -0.341 116.0 63.9 -56.3 67.0 -14.1 -4.8 -9.4 66 66 A I T 3 0 0 137 -2,-2.5 -1,-0.2 0, 0.0 -4,-0.0 0.208 360.0 360.0-157.9 -47.9 -11.3 -3.2 -11.4 67 67 A E < 0 0 115 -3,-1.6 -3,-0.5 0, 0.0 -4,-0.4 -0.930 360.0 360.0-144.8 360.0 -8.1 -5.0 -10.3